methyl 2-[(4-bromophenyl)methyl]-3-oxidanylidene-heptanoate

Systemtic Name: methyl 2-[(4-bromophenyl)methyl]-3-oxidanylidene-heptanoate Openeye Name: methyl 2-[(4-bromophenyl)methyl]-3-oxo-heptanoate CAS Name: 2-[(4-bromophenyl)methyl]-3-oxoheptanoic acid methyl ester IUPAC Name: methyl 2-[(4-bromophenyl)methyl]-3-oxoheptanoate Traditional Name: 2-(4-bromobenzyl)-3-keto-enanthic acid methyl ester Formula: C15H19BrO3 MolecularWeight: 327.21356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(CC1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

CCCCC(=O)C(CC1=CC=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C15H19BrO3/c1-3-4-5-14(17)13(15(18)19-2)10-11-6-8-12(16)9-7-11/h6-9,13H,3-5,10H2,1-2H3